G856-4218 Screening compound: N-[2-(2H-1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-4-nitrobenzamide

G856-4218 Screening compound: N-[2-(2H-1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-4-nitrobenzamide
G856-4218 Screening compound: N-[2-(2H-1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-4218
N-[2-(2H-1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-4-nitrobenzamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

G856-4218

Molecular Formula

C26H26N4O5 (C26 H26 N4 O5)

Compound Name

N-[2-(2H-1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-4-nitrobenzamide

IUPAC name

N-[2-(2H-13-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-4-nitrobenzamide

SMILES

[O-][N+](c(cc1)ccc1C(NCC(c(cc1)cc2c1OCO2)N(CC1)CCN1c1ccccc1)=O)=O

InChI

InChI=1S/C26H26N4O5/c31-26(19-6-9-22(10-7-19)30(32)33)27-17-23(20-8-11-24-25(16-20)35-18-34-24)29-14-12-28(13-15-29)21-4-2-1-3-5-21/h1-11,16,23H,12-15,17-18H2,(H,27,31)/t23-/m0/s1

InChI Key

CDEYDWMQDZLOJJ-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD07192689

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.042

Distribution Coefficient, logD

4.015

Water Solubility, LogSw

-4.30

Polar Surface Area

81.398

Acid Dissociation Constant (pKa)

11.58

Base Dissociation Constant (pKb)

6.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

G856-4218 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G856-4218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-4218?
Check Price and Availability of G856-4218, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G856-4218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-4218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-4218
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of G856-4218 available by request